Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 3316
- Core Entity Id
- 6872
- Source Entity Count
- 1
- Preferred Name
- 3,4-dicaffeoylquinic acid butylester
- Name En
- Pubchem Id
- Smiles Canonical
- Molecular Formula
- C29H32O12
- Molecular Weight
- 572.1900
- Inchikey
- Inchi
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- Num H Donors
- Num H Acceptors
- Num Rotatable Bonds
- Drug Likeness
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3,4-Dicaffeoylquinic Acid Butylester
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
3,4-Dicaffeoylquinic Acid Butylester
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
3,4-dicaffeoylquinic acid butyl ester
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
3,4-dicaffeoylquinic acid butylester
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
3,4-dicaffeoylquinic acid butylester
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
3,4-dicaffeoylquinic acid butylester
Role
preferred
Source
TCMBank
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
3,4-dicaffeoylquinic acid butyl ester
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN007334
Tcmid
41473
Sym Map
SMIT20980
Tcmbank
TCMBANKIN001170
Etcm Ingredient
3,4-dicaffeoylquinic acid butyl ester
Itcmdb Generated
ITX-INGREDIENT-D3F53AA8A4ACITX-INGREDIENT-E795898F0796
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Version
v2
Suppress
0
Molecular Weight
572.190
Molecular Formula
C29H32O12
Fda Maximum Daily Dose (Fdamdd)
0.113
Quantitative Estimate Of Drug Likeness（Qed）
0.131